SCHEMBL31157977

SCHEMBL31157977

CN1CCN(c2ccc(NC(=O)c3cccc(Br)n3)c(N3CCCCC3)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 9/20 0.56
▸ PIM1 P11309 2/20 0.51
▸ PIM3 Q86V86 2/20 0.51
▸ IRAK4 Q9NWZ3 3/20 0.49
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NTRK1 P04629 1/20 0.44
▸ KIT P10721 1/20 0.44
▸ AXL P30530 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ NTRK3 Q16288 1/20 0.43
▸ NTRK2 Q16620 1/20 0.43
▸ CLK4 Q9HAZ1 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23293468 1.00 CSF1R (0.56) CSF1RPIM1PIM3IRAK4ALDH1A1
SCHEMBL20598735 0.88 NTRK1 (0.57) CSF1RPIM1PIM3IRAK4ALDH1A1
SCHEMBL31157975 0.88 CSF1R (0.56) CSF1RPIM1PIM3IRAK4ALDH1A1
SCHEMBL30501448 0.88 NTRK1 (0.57) CSF1RPIM1PIM3IRAK4ALDH1A1
SCHEMBL23293521 0.88 CSF1R (0.56) CSF1RPIM1PIM3IRAK4ALDH1A1
SCHEMBL31000448 0.81 CSF1R (0.55) CSF1RPIM1PIM3IRAK4ALDH1A1
SCHEMBL20598490 0.81 IRAK4 (0.59) CSF1RPIM1PIM3IRAK4NTRK1
SCHEMBL20598482 0.80 PIM1 (0.51) CSF1RPIM1PIM3IRAK4ALDH1A1
SCHEMBL30501501 0.80 PIM1 (0.51) CSF1RPIM1PIM3IRAK4ALDH1A1
SCHEMBL17373830 0.78 PIM1 (0.47) PIM1PIM3IRAK4ALDH1A1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118743770-A Positron Emission Tomography (PET) radiotracer for imaging macrophage colony stimulating factor 1 receptor (CSF 1R) in neuroinflammation 约翰霍普金斯大学 2024-10-08 — — CN disclosed
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